SCHEMBL28634751

SCHEMBL28634751

O=C(C(=O)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.64
CES2 O00748 3/20 0.55
CTNNB1 P35222 3/20 0.51
WNT3A P56704 3/20 0.51
CNR2 P34972 2/20 0.50
CES1 P23141 1/20 0.50
PTGS1 P23219 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NFKB1 P19838 1/20 0.47
PPIA P62937 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27524184 0.90 LMNA (0.55) LMNAGAACES2CTNNB1WNT3A
SCHEMBL29875176 0.89 LMNA (0.58) LMNAGAACES2CTNNB1WNT3A
SCHEMBL7384041 0.89 LMNA (0.58) LMNAGAACES2CTNNB1WNT3A
SCHEMBL30549408 0.87 LMNA (0.56) LMNAGAACES2CTNNB1WNT3A
SCHEMBL746794 0.86 LMNA (0.64) LMNAGAACES2CTNNB1WNT3A
SCHEMBL5794560 0.84 LMNA (0.62) LMNAGAACES2CTNNB1WNT3A
SCHEMBL28815055 0.84 LMNA (0.62) LMNAGAACES2CTNNB1WNT3A
SCHEMBL221518 0.84 LMNA (0.62) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL30449216 0.84 LMNA (0.62) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL2195147 0.84 LMNA (0.62) LMNAGAACES2CTNNB1WNT3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407816-B Compound, application and device adopting compound 清华大学 2021-08-13 CN disclosed